4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde

C15H10N6O — CID 123135950

IUPAC4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde
SMILESO=Cc1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C15H10N6O/c22-9-10-5-7-11(8-6-10)16-14-15-18-19-20-21(15)13-4-2-1-3-12(13)17-14/h1-9H,(H,16,17)
InChIKeyPXQPZTAFFZUQGU-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.23
Rot. Bonds3

About 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde

4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde (PubChem CID 123135950) has the molecular formula C15H10N6O and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde.

Molecular Properties

Compound Name4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde
PubChem CID123135950
Molecular FormulaC15H10N6O
Molecular Weight290.29 g/mol
Exact Mass290.09
IUPAC Name4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde
SMILESO=Cc1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C15H10N6O/c22-9-10-5-7-11(8-6-10)16-14-15-18-19-20-21(15)13-4-2-1-3-12(13)17-14/h1-9H,(H,16,17)
InChIKeyPXQPZTAFFZUQGU-UHFFFAOYSA-N
XLogP2.23
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Morpholin-4-Yl[4-(Tetrazolo[1,5-A]quinoxalin-4-Ylamino)phenyl]methanone
CID 22432631
N-Benzyl-4-Methyl-1-Phenyl[1,2,4]triazolo[4,3-A]quinoxaline-8-Carboxamide
CID 71153223
1-[3-([1,2,4]Triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone
CID 5295760
N-(4-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine
CID 16193211
1-{4-[(8-Methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenyl}ethanone
CID 22431375
N-[4-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine
CID 15990022
N-[(2-Chlorophenyl)methyl]-4-({[1,2,3,4]tetrazolo[1,5-A]quinoxalin-4-YL}amino)benzamide
CID 15990199
N-(2-Phenylethyl)-4-({[1,2,3,4]tetrazolo[1,5-A]quinoxalin-4-YL}amino)benzamide
CID 15990278
N-(1-Phenylethyl)-4-({[1,2,3,4]tetrazolo[1,5-A]quinoxalin-4-YL}amino)benzamide
CID 15990289
N-{4-[4-(Pyridin-2-YL)piperazine-1-carbonyl]phenyl}-[1,2,3,4]tetrazolo[1,5-A]quinoxalin-4-amine
CID 22432629
N-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71152240
N-ethyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153086

Frequently Asked Questions

What is the IUPAC name of 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde?
The IUPAC name of 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde (CID 123135950) is 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde.
What is the SMILES notation for 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde?
The canonical SMILES for 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde is O=Cc1ccc(Nc2nc3ccccc3n3nnnc23)cc1.
What is the InChIKey of 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde?
The InChIKey is PXQPZTAFFZUQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O/c22-9-10-5-7-11(8-6-10)16-14-15-18-19-20-21(15)13-4-2-1-3-12(13)17-14/h1-9H,(H,16,17).
What are the key properties of 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde?
4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde has a molecular weight of 290.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzaldehyde is sourced from PubChem (CID 123135950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).